Age | Commit message (Expand) | Author |
2021-03-20 | manuscript update | Christoph Helma |
2021-02-22 | new scripts and files added | Christoph Helma |
2021-02-22 | more script consolidations | Christoph Helma |
2021-02-18 | further cleanup, detailled pa-predictions separated, text modified until results | Christoph Helma |
2021-02-17 | updated tensorflow cdk predictions, cdk properties added | Christoph Helma |
2021-02-17 | cleanup, scripts adjusted, improved figures | Christoph Helma |
2021-02-10 | new confusion matrix locations, PA prediction figures, pandoc-placetable remo... | Christoph Helma |
2021-02-06 | svm validation, tensorflow mp2d pa predictions, r results removed, cleanup | Christoph Helma |
2021-01-23 | updated tensorflow pa fingerprint predictions | Christoph Helma |
2021-01-18 | tensorflow cv with fixed mutagenicity outcome | Christoph Helma |
2020-12-10 | CDK instead of PaDEL | Christoph Helma |
2020-10-21 | PA discussion | Christoph Helma |
2020-10-20 | Summary table of PA predictions | Christoph Helma |
2020-10-19 | PA prediction summary | Christoph Helma |
2020-10-19 | PA Table fixed | Christoph Helma |
2020-10-19 | lazar-padel pa predictions fixed | Christoph Helma |
2020-10-19 | tensorflow PA predictions, updated tensorflow cv | Christoph Helma |
2020-10-17 | typos fixed | Christoph Helma |
2020-10-17 | ch additions to manuscript | Christoph Helma |
2020-10-16 | ROC plot updated for readability | Christoph Helma |
2020-10-16 | pa prediction table integrated | Christoph Helma |
2020-10-16 | table with PA predictions | Christoph Helma |
2020-10-10 | tensorflow summary fixed | Christoph Helma |
2020-10-10 | lazar summary updated | Christoph Helma |
2020-10-10 | pdf updated | Christoph Helma |
2020-10-10 | Makefile and scripts cleanup; lazar, R and tensorflow tables | Christoph Helma |
2020-09-30 | padel tsne diagram | Christoph Helma |
2020-09-25 | new tensorflow predictions, nix configuration, t-sne figure | Christoph Helma |
2019-10-28 | discussion, conclusion, abstract | Christoph Helma |
2019-10-21 | Results section | Christoph Helma |
2019-10-21 | mustache preprocessing | Christoph Helma |
2019-10-10 | Makefile update, obsolete scripts removedpa | Christoph Helma |
2019-08-19 | obsolete files removed, adjusted export scripts | Christoph Helma |
2019-08-14 | directory reorganization, evaluation scripts for R CVs | Christoph Helma |
2018-12-07 | exported fingerprints | Christoph Helma |
2018-11-06 | smiles instead of ids in csv export | Christoph Helma |
2018-11-06 | sdf export fixed, cleanup | Christoph Helma |
2018-11-05 | models/predictions with latest lazar version | Christoph Helma |
2018-11-05 | adjustments for latest lazar version | Christoph Helma |
2018-10-07 | Rakefile fix, directories added/fixed | Christoph Helma |
2018-10-07 | Rakefile instead of Makefile and scripts | Christoph Helma |
2018-10-06 | PA's updated | Christoph Helma |
2018-09-17 | efsa parsing fixed, contradictory results | Christoph Helma |
2018-09-06 | mutagenicity sdf export | Christoph Helma |
2018-08-23 | unique neighbor sets | Christoph Helma |
2018-08-09 | merged validation | Christoph Helma |
2018-08-08 | merged dataset | Christoph Helma |
2018-08-07 | initial commit | Christoph Helma |